Abstract
A simple terrace-step-kink model is studied using Monte-Carlo techniques. In the nearly isotropic case where the energy to form a kink within a step,W 0, is equal to the energy to shift a step by one interatomic spacing,w n, the roughening transition is determined numerically in accordance with the Kosterlitz-Thouless theory. In the anisotropic case,w n≪W 0, results can be related to atomic beam-diffraction experiments on Cu(1,1,3). Additional evidence for a roughening transition of that face is given; the transition, however, seems to occur at a temperature somewhat higher than has been previously anticipated.
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Selke, W., Szpilka, A.M. Monte-Carlo study of a model for the roughening transition of high-index crystal faces. Z. Physik B - Condensed Matter 62, 381–386 (1986). https://doi.org/10.1007/BF01313461
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DOI: https://doi.org/10.1007/BF01313461